N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C24H22ClF3N4O2 — CID 166158850

IUPACN-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCC(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H22ClF3N4O2/c25-18-7-9-19-16(11-18)5-10-21(31-19)32-22(33)15-3-1-14(2-4-15)12-30-23(34)20-8-6-17(13-29-20)24(26,27)28/h5-11,13-15H,1-4,12H2,(H,30,34)(H,31,32,33)
InChIKeyUSIMNDAACXBSDC-UHFFFAOYSA-N
MW490.91 g/mol
LogP5.48
Rot. Bonds5

About N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166158850) has the molecular formula C24H22ClF3N4O2 and a molecular weight of 490.91 g/mol. Its IUPAC name is N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166158850
Molecular FormulaC24H22ClF3N4O2
Molecular Weight490.91 g/mol
Exact Mass490.14
IUPAC NameN-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCC(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H22ClF3N4O2/c25-18-7-9-19-16(11-18)5-10-21(31-19)32-22(33)15-3-1-14(2-4-15)12-30-23(34)20-8-6-17(13-29-20)24(26,27)28/h5-11,13-15H,1-4,12H2,(H,30,34)(H,31,32,33)
InChIKeyUSIMNDAACXBSDC-UHFFFAOYSA-N
XLogP5.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 166158850) is N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCC1CCC(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is USIMNDAACXBSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O2/c25-18-7-9-19-16(11-18)5-10-21(31-19)32-22(33)15-3-1-14(2-4-15)12-30-23(34)20-8-6-17(13-29-20)24(26,27)28/h5-11,13-15H,1-4,12H2,(H,30,34)(H,31,32,33).
What are the key properties of N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 490.91 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166158850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).